Sugi Predict

Sugi Predict / Compounds / SCHEMBL10048581

SCHEMBL10048581

SCHEMBL10048581

Nc1nc(S)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C3O)c2n1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 7/20 0.69
▸ P2RX3 P56373 4/20 0.69
▸ ENPP1 P22413 2/20 0.69
▸ P2RX1 P51575 2/20 0.69
▸ P2RX4 Q99571 2/20 0.69
▸ P2RY6 Q15077 1/20 0.69
▸ P2RY11 Q96G91 1/20 0.69
▸ P2RY12 Q9H244 1/20 0.67
▸ P2RY2 P41231 2/20 0.65
▸ P2RX2 Q9UBL9 2/20 0.65
▸ SRC P12931 1/20 0.65
▸ ALDH1A1 P00352 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ RNASEL Q05823 2/20 0.65
▸ NT5E P21589 2/20 0.63
▸ GPR17 Q13304 2/20 0.63
▸ IMPDH2 P12268 1/20 0.61
▸ IMPDH1 P20839 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14625239 1.00 P2RY1 (0.69) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL10017676 1.00 P2RY1 (0.69) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL2619749 1.00 P2RY1 (0.69) P2RY1P2RX3ENPP1P2RX1P2RX4
6-Thioguanylic Acid SCHEMBL15833214 0.92 CA5A (0.69) P2RY1P2RX3P2RY11P2RY2SRC
SCHEMBL13857854 0.91 P2RY1 (0.79) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL18269547 0.91 P2RY1 (0.79) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL3502237 0.91 P2RY1 (0.79) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL625828 0.91 P2RY1 (0.79) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL1904678 0.91 P2RY1 (0.66) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL29471291 0.91 P2RY1 (0.79) P2RY1P2RX3ENPP1P2RX1P2RX4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114986-B2 Analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation GIULIANI INTERNATIONAL LIMITED (IE) 2012-02-14 — — US disclosed
US-20100323980-A9 Improvements to analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation NOGRA PHARMA LIMITED (IE) 2010-12-23 — — US disclosed
US-20090258837-A1 Analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation GIULIANI INTERNATIONAL LIMITED (IE) 2009-10-15 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090258837-A1 Analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation TPMT, MTAP, G6PD P2RY1 224/4885P2RX3 268/4885ENPP1 477/4885
US-20100323980-A9 Improvements to analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation TPMT, G6PD, MTAP P2RY1 297/4885P2RX3 348/4885ENPP1 535/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.